Structure Information
Structure

Compound Identification

SMILES

COCCN1C(=O)C2=C(SC3=C2CCCC3)N=C1SCC(=O)NNC(=O)C1=CC=C(F)C=C1

InChIKey

InChIKey=KFMZDPXDXPZJQN-UHFFFAOYSA-N

Formula

C22H23FN4O4S2

Mass

490.57

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Halobenzoic acids and derivatives

Direct Parent

4-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

4-halobenzoic acid or derivatives - Thienopyrimidine - Aryl thioether - Benzoyl - Fluorobenzene - Halobenzene - Alkylarylthioether - Pyrimidone - Aryl fluoride - Aryl halide - Pyrimidine - Heteroaromatic compound - Thiophene - Carboxylic acid hydrazide - Lactam - Carboxylic acid derivative - Dialkyl ether - Ether - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.

External Descriptors

Not available

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